ChemSpider 2D Image | 2,13-Divaleryldibenzo-18-crown-6 | C30H44O6

2,13-Divaleryldibenzo-18-crown-6

  • Molecular FormulaC30H44O6
  • Average mass500.667 Da
  • Monoisotopic mass500.313782 Da
  • ChemSpider ID114770

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2,13-Dipentyl-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin [German] [ACD/IUPAC Name]
2,13-Dipentyl-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine [ACD/IUPAC Name]
2,13-Dipentyl-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadécine [French] [ACD/IUPAC Name]
2,13-Divaleryldibenzo-18-crown-6
Dibenzo(b,k)(1,4,7,10,13,16)hexaoxacyclooctadecin, 6,7,9,10,17,18,20,21-octahydro-2,13-dipentyl-
Dibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin, 6,7,9,10,17,18,20,21-octahydro-2,13-dipentyl- [ACD/Index Name]
2,13-dipentyl-5,6,7,8,9,10,11,16,17,18,19,20,21,22-tetradecahydrodibenzo[a,j][ 18]annulene
2,13-dipentyl-5,6,7,8,9,10,11,16,17,18,19,20,21,22-tetradecahydrodibenzo[a,j][18]annulene
68725-69-9 [RN]
70460-66-1 [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.0±0.1 g/cm3
    Boiling Point: 610.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 87.3±3.0 kJ/mol
    Flash Point: 231.2±31.4 °C
    Index of Refraction: 1.494
    Molar Refractivity: 142.6±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 7.01
    ACD/LogD (pH 5.5): 7.11
    ACD/BCF (pH 5.5): 150161.63
    ACD/KOC (pH 5.5): 176586.81
    ACD/LogD (pH 7.4): 7.11
    ACD/BCF (pH 7.4): 150161.63
    ACD/KOC (pH 7.4): 176586.81
    Polar Surface Area: 55 Å2
    Polarizability: 56.5±0.5 10-24cm3
    Surface Tension: 36.8±3.0 dyne/cm
    Molar Volume: 489.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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